SCHEMBL4121655

SCHEMBL4121655

CC(=O)Nc1ccc(OC(=O)CCOCCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ OPRK1 P41145 1/20 0.55
▸ HSD17B10 Q99714 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ ESR2 Q92731 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HTT P42858 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ GAA P10253 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4128787 0.87 KMT2A (0.55) KMT2AMEN1ALDH1A1OPRK1HSD17B10
SCHEMBL8031422 0.84 OPRK1 (0.53) KMT2AMEN1ALDH1A1OPRK1HSD17B10
SCHEMBL1535317 0.82 MAPT (0.50) KMT2AMEN1ALDH1A1OPRK1HSD17B10
SCHEMBL20734934 0.81 KMT2A (0.51) KMT2AMEN1ALDH1A1OPRK1HSD17B10
SCHEMBL11070291 0.81 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1OPRK1HSD17B10
SCHEMBL15223764 0.81 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1OPRK1HSD17B10
SCHEMBL27476119 0.80 OPRK1 (0.66) KMT2AMEN1ALDH1A1OPRK1HSD17B10
SCHEMBL1930736 0.80 KMT2A (0.70) KMT2AMEN1ALDH1A1OPRK1HSD17B10
SCHEMBL12291744 0.80 KMT2A (0.75) KMT2AMEN1ALDH1A1OPRK1HSD17B10
SCHEMBL20769767 0.79 KMT2A (0.64) KMT2AMEN1ALDH1A1OPRK1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629368-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2009-12-08 — — US disclosed
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2009-03-19 — — US disclosed
US-7465803-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2008-12-16 — — US disclosed
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2008-08-14 — — US disclosed
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 — — EP disclosed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 — — US disclosed
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 — — EP disclosed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR0B1, NOX1 KMT2A 3396/4885MEN1 4805/4885ALDH1A1 665/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 KMT2A 2845/4885MEN1 4552/4885ALDH1A1 626/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 KMT2A 2615/4885MEN1 4828/4885ALDH1A1 790/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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